1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

C18H29N5O3 — CID 119333431

About 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 119333431) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
• PubChem CID: 119333431
• Molecular Formula: C18H29N5O3
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.23
• IUPAC Name: 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
• SMILES: CC1CN(C(=O)Cn2cc(NC(=O)C3(N)CCCCC3)cn2)CC(C)O1
• InChI: InChI=1S/C18H29N5O3/c1-13-9-22(10-14(2)26-13)16(24)12-23-11-15(8-20-23)21-17(25)18(19)6-4-3-5-7-18/h8,11,13-14H,3-7,9-10,12,19H2,1-2H3,(H,21,25)
• InChIKey: PSSPOMQOCOLPRB-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 102.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?

The IUPAC name of 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (CID 119333431) is 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?

The canonical SMILES for 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is CC1CN(C(=O)Cn2cc(NC(=O)C3(N)CCCCC3)cn2)CC(C)O1.

What is the InChIKey of 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?

The InChIKey is PSSPOMQOCOLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13-9-22(10-14(2)26-13)16(24)12-23-11-15(8-20-23)21-17(25)18(19)6-4-3-5-7-18/h8,11,13-14H,3-7,9-10,12,19H2,1-2H3,(H,21,25).

What are the key properties of 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?

1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119333431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).